CID 5352859

Isopropyl 9z-hexadecenoate

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h9-10,18H,4-8,11-17H2,1-3H3/b10-9-
InChIKey
VGLJNQYCGDBABV-KTKRTIGZSA-N
Compound name
propan-2-yl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

296.27155 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 182.8
[M+Na]+ 319.26077 185.0
[M-H]- 295.26427 180.9
[M+NH4]+ 314.30537 198.3
[M+K]+ 335.23471 182.0
[M+H-H2O]+ 279.26881 176.1
[M+HCOO]- 341.26975 201.2
[M+CH3COO]- 355.28540 208.7
[M+Na-2H]- 317.24622 180.4
[M]+ 296.27100 189.1
[M]- 296.27210 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe